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Sebacic acid, 2,3-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorophenyl nonyl ester
SpectraBase Compound ID DDkM6l68LCE
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-8-11-14-20-30-23(28)18-12-9-6-7-10-13-19-24(29)31-22-17-15-16-21(26)25(22)27/h15-17H,2-14,18-20H2,1H3
InChIKey JKJAGTDFRRAAEU-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kr7LY1wz5R
Name Sebacic acid, 2,3-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-8-11-14-20-30-23(28)18-12-9-6-7-10-13-19-24(29)31-22-17-15-16-21(26)25(22)27/h15-17H,2-14,18-20H2,1H3
InChIKey JKJAGTDFRRAAEU-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCCCCCC)=O